5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one

C14H17NO3 — CID 172549961

IUPAC5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(OC3CCCCC3O)ccc21
InChIInChI=1S/C14H17NO3/c16-12-3-1-2-4-13(12)18-10-5-6-11-9(7-10)8-15-14(11)17/h5-7,12-13,16H,1-4,8H2,(H,15,17)
InChIKeyQZTZUVFGYZWOND-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.61
Rot. Bonds2

About 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one

5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one (PubChem CID 172549961) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one
PubChem CID172549961
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(OC3CCCCC3O)ccc21
InChIInChI=1S/C14H17NO3/c16-12-3-1-2-4-13(12)18-10-5-6-11-9(7-10)8-15-14(11)17/h5-7,12-13,16H,1-4,8H2,(H,15,17)
InChIKeyQZTZUVFGYZWOND-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
CID 107684183
5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
CID 146296856
6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 93346628
trans-(1R,2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclopentan-1-ol
CID 102735479
5-(2-hydroxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684725
3-[6-(2-hydroxycyclopentyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296642
5-propoxy-2,3-dihydroisoindol-1-one
CID 158874479
(1R)-5-(2-hydroxycyclopentyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 114091325
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one (CID 172549961) is 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one is O=C1NCc2cc(OC3CCCCC3O)ccc21.
What is the InChIKey of 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one?
The InChIKey is QZTZUVFGYZWOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12-3-1-2-4-13(12)18-10-5-6-11-9(7-10)8-15-14(11)17/h5-7,12-13,16H,1-4,8H2,(H,15,17).
What are the key properties of 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one?
5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one has a molecular weight of 247.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 172549961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).